3-(3-Methylphenyl)-1-[(3R)-1-[2-(2-Methylphenyl)-2-Oxoethyl]-2-Oxo-5-Phenyl-3H-1,4-Benzodiazepin-3-Yl]Urea
[CAS# 145084-28-2]

Identification

• Name: 3-(3-Methylphenyl)-1-[(3R)-1-[2-(2-Methylphenyl)-2-Oxoethyl]-2-Oxo-5-Phenyl-3H-1,4-Benzodiazepin-3-Yl]Urea
• Synonyms: 3-(3-Methylphenyl)-1-[(3R)-1-[2-(2-Methylphenyl)-2-Oxo-Ethyl]-2-Oxo-5-Phenyl-3H-1,4-Benzodiazepin-3-Yl]Urea; 1-[(3R)-2-Keto-1-[2-Keto-2-(2-Methylphenyl)Ethyl]-5-Phenyl-3H-1,4-Benzodiazepin-3-Yl]-3-(3-Methylphenyl)Urea; Ncgc00092280-01
• Molecular Formula: C₃₂H₂₈N₄O₃
• Molecular Weight: 516.60
• CAS Registry Number: 145084-28-2
• SMILES: [C@H]1(N=C(C3=C(N(C1=O)CC(=O)C2=C(C=CC=C2)C)C=CC=C3)C4=CC=CC=C4)NC(=O)NC5=CC(=CC=C5)C
• InChI: 1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
• InChIKey: YCXFHPUBGMMWJQ-PMERELPUSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 735.422°C at 760 mmHg (Cal.)
• Flash point: 398.569°C (Cal.)